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METHYL 3-OXOHEPTANOATE

Catalog No: FT-0655438

CAS No: 39815-78-6

Chemical Name: METHYL 3-OXOHEPTANOATE
Molecular Formula: C8H14O3
Molecular Weight: 158.19
InChI Key: CZTKGERSDUGZPQ-UHFFFAOYSA-N
InChI: InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Product_Name:	Methyl 3-Oxoheptanoate
Flash_Point:	79.6ºC
Melting_Point:	N/A
FW:	158.19500
Density:	0.994 g/mL at 20ºC(lit.)
CAS:	39815-78-6
Bolling_Point:	206ºC at 760 mmHg
MF:	C8H14O3

LogP:	1.30880
Flash_Point:	79.6ºC
Refractive_Index:	1.421
FW:	158.19500
Density:	0.994 g/mL at 20ºC(lit.)
Bolling_Point:	206ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	43.37000
MF:	C8H14O3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25 ºC）0994 ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）90-91（15kpa） ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，12mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）95 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	158.09400